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CID 44216842

Alias: Cdc42-IN-1; CID44216842; CID-44216842; CID 44216842
Cat No.:V2441 Purity: ≥98%
CID44216842 (Cdc42-IN-1) is a potent and specific Cdc42 inhibitor.
CID 44216842
CID 44216842 Chemical Structure CAS No.: 1222513-26-9
Product category: Ras
This product is for research use only, not for human use. We do not sell to patients.
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10mg
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Product Description
CID44216842 (Cdc42-IN-1) is a potent and specific Cdc42 inhibitor. In GTP binding assay, the EC50 of CID44216842 against Cdc42 wild type and Cdc42Q61L mutant was 1.0 and 1.2 μM, respectively. In the GDP binding assay, the EC50 of CID44216842 against Cdc42 wild type and Cdc42Q61L mutant was 0.3 and 0.5 μM, respectively. Can be used as molecular probes.
Biological Activity I Assay Protocols (From Reference)
Targets
Cdc42 WT ( EC50 = 1.0 μM ); Cdc42Q61L ( EC50 = 1.2 μM ); Cdc42 WT ( EC50 = 0.3 μM ); Cdc42Q61L ( EC50 = 0.5 μM )
ln Vitro
CID44216842 blocks GTP binding to Cdc42 and its mutant in a dose-dependent manner. The inhibition is exclusive to Cdc42 and has no effect on other members of the same family of GTPases, such as Rac and Rho[1].
References

[1]. Characterization of a Cdc42 Protein Inhibitor and Its Use as a Molecular Probe. J Biol Chem. 2013 Mar 22;288(12):8531-43.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C22H20BRN3O3S
Molecular Weight
486.38
Exact Mass
485.04
CAS #
1222513-26-9
PubChem CID
44216842
Appearance
White to off-white solid powder
LogP
4.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Heavy Atom Count
30
Complexity
710
Defined Atom Stereocenter Count
0
SMILES
BrC1C=CC(=CC=1)C1CC(C2C=CC=C(C=2)OC)=NN1C1C=CC(=CC=1)S(N)(=O)=O
InChi Key
LPUYDLXQQMWRLR-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H20BrN3O3S/c1-29-19-4-2-3-16(13-19)21-14-22(15-5-7-17(23)8-6-15)26(25-21)18-9-11-20(12-10-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
Chemical Name
4-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
Synonyms
Cdc42-IN-1; CID44216842; CID-44216842; CID 44216842
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO: 97~250 mg/mL (199.4~514.0 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.28 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.08 mg/mL (4.28 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.0560 mL 10.2800 mL 20.5601 mL
5 mM 0.4112 mL 2.0560 mL 4.1120 mL
10 mM 0.2056 mL 1.0280 mL 2.0560 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

Biological Data
  • Cdc42 activation was specifically inhibited by CID2950007 and its analog CID44216842 as demonstrated by the GLISA assay. J Biol Chem . 2013 Mar 22;288(12):8531-8543.
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